1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C8H11F3N2O3 — CID 63349190

IUPAC1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCOCCc1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O3/c1-15-3-2-6-12-7(16-13-6)4-5(14)8(9,10)11/h5,14H,2-4H2,1H3
InChIKeyGPAIDGOWOYNPJX-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.72
Rot. Bonds5

About 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 63349190) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID63349190
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCOCCc1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O3/c1-15-3-2-6-12-7(16-13-6)4-5(14)8(9,10)11/h5,14H,2-4H2,1H3
InChIKeyGPAIDGOWOYNPJX-UHFFFAOYSA-N
XLogP0.72
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 63349190) is 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is COCCc1noc(CC(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is GPAIDGOWOYNPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-15-3-2-6-12-7(16-13-6)4-5(14)8(9,10)11/h5,14H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 240.18 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 63349190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).